SCHEMBL5522602

SCHEMBL5522602

CCN(CC)C(=O)c1ccc(Nc2ncc([N+](=O)[O-])c(NC)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.57
GSK3A P49840 5/20 0.57
AURKA O14965 4/20 0.57
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
MCL1 Q07820 1/20 0.56
PTK2B Q14289 1/20 0.56
PLK1 P53350 1/20 0.49
PTK2 Q05397 4/20 0.48
LRRK2 Q5S007 2/20 0.46
STK17A Q9UEE5 1/20 0.46
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
GRM5 P41594 1/20 0.44
LMNA P02545 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5422211 0.84 MEN1 (0.67) GSK3BGSK3AAURKAMAPTMEN1
SCHEMBL5511597 0.82 PTK2 (0.50) AURKAMEN1KMT2APTK2LRRK2
SCHEMBL5417264 0.81 GSK3B (0.59) GSK3BGSK3AAURKAMAPTMEN1
SCHEMBL5408359 0.80 MAPT (0.86) GSK3BGSK3AAURKAMAPTMEN1
SCHEMBL5409960 0.79 MEN1 (0.60) GSK3BGSK3AAURKAMAPTMEN1
SCHEMBL5416097 0.79 GSK3B (0.54) GSK3BGSK3AAURKAMAPTMEN1
SCHEMBL5419368 0.79 GSK3B (0.63) GSK3BGSK3AAURKAMAPTMEN1
SCHEMBL5413779 0.79 GSK3B (0.60) GSK3BGSK3AAURKAMAPTMEN1
SCHEMBL5407967 0.78 GSK3B (0.59) GSK3BGSK3AAURKAMAPTMEN1
SCHEMBL5408207 0.78 GSK3B (0.61) GSK3BGSK3AAURKAMAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1703405-A Aminobenzamide derivatives as glycogen synthase kinase 3 beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-11-30 CN claimed
CN-100436427-C Aminobenzamide derivatives as glycogen synthase kinase 3 beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2008-11-26 CN disclosed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
CN-1703405-A Aminobenzamide derivatives as glycogen synthase kinase 3 beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-11-30 CN disclosed
EP-1409487-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-04-21 EP disclosed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 US disclosed
CN-1373763-A Pteridinones and kinase inhibitors WARNER LAMBERT CO (US) 2002-10-09 CN disclosed
WO-2001019825-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-03-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030130286-A1 Pteridinones as kinase inhibitors CCNI, CCNK, CDK2 GSK3B 414/4885GSK3A 529/4885AURKA 142/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 GSK3B 631/4885GSK3A 872/4885AURKA 186/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.